Glycoside
GD037478
Name:
NoneFormula:
C27H38O8N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)CCCCCCCCCCOc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 17 |
| MolWt: | 606.7 | Num_heavy_atoms: | 42 |
| TPSA: | 201.01 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD23602
Formula: C18H29O5NS
Smiles:
COS(=O)(=O)NC(=O)CCCCCCCCCCOc1ccccc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 14 |
| MolWt: | 371.5 | Num_heavy_atoms: | 25 |
| TPSA: | 81.7 | NumAromaticRings: | 1 |
